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[4-(dimethylamino)phenyl](oxo)acetonitrile, with the molecular formula C10H11N2O, is a yellow to brown crystalline solid that is insoluble in water and has a melting point of 75-78°C. It is a chemical compound often utilized as an intermediate in the synthesis of pharmaceuticals and other organic compounds.

40591-10-4

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40591-10-4 Usage

Uses

Used in Pharmaceutical Synthesis:
[4-(dimethylamino)phenyl](oxo)acetonitrile is used as an intermediate in the pharmaceutical industry for the synthesis of various pharmaceuticals and organic compounds. Its unique chemical structure allows for the creation of a wide range of products with diverse applications in healthcare.
Used in Optoelectronic Applications:
In the optoelectronics industry, [4-(dimethylamino)phenyl](oxo)acetonitrile is used as a potential component in the development of organic light-emitting diodes (OLEDs) and other related technologies. Its properties make it a candidate for enhancing the performance and efficiency of these devices.
Used in Biological Research:
[4-(dimethylamino)phenyl](oxo)acetonitrile has been found to exhibit some biological activity, particularly in its interactions with certain enzymes and receptors. As a result, it is used in the research and development of new drugs and therapies, with further research needed to fully understand its potential uses and effects in this field.

Check Digit Verification of cas no

The CAS Registry Mumber 40591-10-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,5,9 and 1 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 40591-10:
(7*4)+(6*0)+(5*5)+(4*9)+(3*1)+(2*1)+(1*0)=94
94 % 10 = 4
So 40591-10-4 is a valid CAS Registry Number.

40591-10-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(dimethylamino)benzoyl cyanide

1.2 Other means of identification

Product number -
Other names 4-N,N-dimethylaminobenzoyl cyanide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:40591-10-4 SDS

40591-10-4Relevant academic research and scientific papers

Thermal reaction of 4-(p-aminophenyl)-1-sulfonyl-1,2,3-triazoles furnishing benzoyl cyanides through N-sulfinyl imine intermediates

Miura, Tomoya,Zhao, Qiang,Funakoshi, Yuuta,Murakami, Masahiro

, p. 967 - 969 (2015)

A thermal reaction of 4-(p-aminophenyl)-1-sulfonyl-1,2,3- triazoles forming benzoyl cyanides is reported. A carbene species thermally generated from the triazole by denitrogenation undergoes intramolecular oxygen migration from sulfur to carbon, giving an N-sulfinyl benzoylimine intermediate. The subsequent Cope-type elimination of the sulfinyl group gives rise to cyano functionality.

Structure-reactivity correlations in nucleophilic substitution reactions of Y-substituted phenyl X-substituted benzoates with anionic and neutral nucleophiles

Um, Ik-Hwan,Lee, Ji-Youn,Fujio, Mizue,Tsuno, Yuho

, p. 2979 - 2985 (2008/02/11)

A kinetic study is reported for the reactions of 4-nitrophenyl X-substituted benzoates (1a-l) and Y-substituted phenyl benzoates (2a-l) with two anionic nucleophiles (OH- and CN-) and three amines (piperidine, hydrazine, and glycylglycine) in 80 mol% H2O-20 mol% dimethyl sulfoxide (DMSO) at 25.0 ± 0.1 °C. Each Hammett plot exhibits two intersecting straight lines for the reactions of 1a-l with the anionic nucleophiles and piperidine, while the Yukawa-Tsuno plots for the same reactions are linear. The Hammett plots for the reactions of 2a-l with hydrazine and glycylglycine demonstrate much better linear correlations with σ- constants than with σ° or σ constants, indicating that the leaving group departure occurs at the rate determining step (RDS). On the contrary, σ- constants result in poorer Hammett correlation than σ° constants for the corresponding reactions with OH- and CN-, indicating that the leaving group departure occurs after the RDS for the reactions with the anionic nucleophiles. The large ρX value (1.7 ± 0.1) obtained for the reactions of 1a-l with the anionic nucleophiles supports the proposal that the reactions proceed through an addition intermediate with its formation being the RDS. The Royal Society of Chemistry 2006.

Photochemistry and photophysics of triarylmethane dye leuconitriles

Jarikov,Neckers

, p. 659 - 671 (2007/10/03)

The photochemical reactions of crystal violet leuconitrile (CVCN) were investigated by the means of product analysis and trapping experiments, laser flash and steady-state photolysis, and steady-state fluorescence. The influence of oxygen on the reaction was examined in detail. The photochemistry of malachite green leuconitrile (MGCN), basic fuchsin leuconitrile (BFCN), and crystal violet leucomethyl (CVMe) and leucobenzyl (CVBn), as well as triphenylacetonitrile, was studied. The results suggest ionization occurs from S1, while the di-π-methane reaction is the photochemical route from T1.

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